SCHEMBL5126364

SCHEMBL5126364

CCCN1C(=O)/C(=N\NC(=O)Nc2cccc(Cl)c2)c2cc(SCCCc3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 4/20 0.40
KDR P35968 1/20 0.40
LMNA P02545 4/20 0.37
HTT P42858 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NTRK1 P04629 2/20 0.35
NTRK2 Q16620 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 5/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
EPHX1 P07099 3/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5116866 1.00 CA12 (0.40) CA12CA1CA2CA9KDR
SCHEMBL14287354 1.00 CA12 (0.40) CA12CA1CA2CA9KDR
SCHEMBL14287349 0.96 EPHX1 (0.37) CA12CA1CA2CA9KDR
SCHEMBL5117080 0.96 EPHX1 (0.37) CA12CA1CA2CA9KDR
SCHEMBL5117077 0.96 EPHX1 (0.37) CA12CA1CA2CA9KDR
SCHEMBL5139441 0.96 CA2 (0.41) CA12CA1CA2CA9KDR
SCHEMBL5139442 0.96 CA2 (0.41) CA12CA1CA2CA9KDR
SCHEMBL14287355 0.96 CA2 (0.41) CA12CA1CA2CA9KDR
SCHEMBL14287344 0.95 EPHX1 (0.39) CA12CA1CA2CA9KDR
SCHEMBL5124954 0.95 EPHX1 (0.39) CA12CA1CA2CA9KDR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-03 US claimed
US-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA CA12 4873/4885CA1 4882/4885CA2 4535/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.